ID: 12202
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(Br)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 321.258
CB1 binding score: -18.671
InChIKey:RPVWNWGEPFZWQS-UHFFFAOYSA-N
ID: 12203
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 12204
SMILES:C1=C(C)CCC(C(CC=CC(C)C)(OC)C)C1c1cc(O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: 1.152
InChIKey:BZQVQOFELUBWLE-UHFFFAOYSA-N
ID: 12205
SMILES:c1(CCCC)ccc(O)c2c1OC1C(C)C(C)(CC=C2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.489
InChIKey:AJNFMGFSJNJPCA-UHFFFAOYSA-N
ID: 12206
SMILES:C(Cc1c2c(c(O)c(C=O)c1O)C1CC(C)=CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -14.887
InChIKey:HIQRFODOFOGNGS-UHFFFAOYSA-N
ID: 12207
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)C(C=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.396
InChIKey:VFOZUDDFNMEHAZ-UHFFFAOYSA-N
ID: 12208
SMILES:C(C)(=O)OC1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 12209
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(=O)C=C(O)CC1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -13.721
InChIKey:UGLURZWRRWDGCB-UHFFFAOYSA-N
ID: 12210
SMILES:C(CC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 12211
SMILES:C=C(C)C1C2c3c(O)cc(CCCCC)cc3OC(CCCC(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -15.194
InChIKey:SCMRZYSDBZLRSZ-UHFFFAOYSA-N
ID: 12212
SMILES:C1(C(C)=C)CCC2(C)C1CCC1(C)OC3C(OC23)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -12.538
InChIKey:BZUOHDPDSNXQHX-UHFFFAOYSA-N
ID: 12213
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.915
InChIKey:QGXPGVCOVFFYDF-UHFFFAOYSA-N
ID: 12214
SMILES:C12(CO)c3c(O)cc(C)cc3OC(C)(C)C1CC(O)C(C)=CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.344
InChIKey:STJSTSHAXJXFJL-UHFFFAOYSA-N
ID: 12215
SMILES:OC1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 12216
SMILES:C12C3C(CCC1(C)O3)C(CO)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.015
InChIKey:VKRORBICWZFBSN-UHFFFAOYSA-N
ID: 12217
SMILES:c1(O)ccc2c(c1CCCCC)OC(C)(C)C1C2CC(C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.139
InChIKey:TXCFJVGPTQQUST-UHFFFAOYSA-N
ID: 12218
SMILES:C1CC(C)(C)OC(CC2=CC(c3cc(C(O)=O)cc(CCCC)c3)CC2(C)C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.855
InChIKey:WSAYELHYAQELCH-UHFFFAOYSA-N
ID: 12219
SMILES:Cc1c(OC(C=C(C)C)=O)cc(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.288
InChIKey:QBPGMWXMFVJGMT-UHFFFAOYSA-N
ID: 12220
SMILES:c1(O)cc(C)cc(CC(CCCC(C2CC=C(C)CC2)(C)O)CCCC(=O)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -13.82
InChIKey:ZMXVXBBPQDCXFG-UHFFFAOYSA-N
ID: 12221
SMILES:CC(C)C1C(c2c(O)ccc(CCCCC)c2)C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 316.485
CB1 binding score: -14.769
InChIKey:GBPJNQPBBYGJIE-UHFFFAOYSA-N
ID: 12222
SMILES:CC1=CC2=C(CCC1)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.367
InChIKey:SZCAWZYCOFPAQP-UHFFFAOYSA-N